235 related articles for article (PubMed ID: 27691842)
1. Design of novel lead molecules against RhoG protein as cancer target - a computational study.
Dasari T; Kondagari B; Dulapalli R; Abdelmonsef AH; Mukkera T; Padmarao LS; Malkhed V; Vuruputuri U
J Biomol Struct Dyn; 2017 Nov; 35(14):3119-3139. PubMed ID: 27691842
[TBL] [Abstract][Full Text] [Related]
2. Ligand- and structure-based in silico studies to identify kinesin spindle protein (KSP) inhibitors as potential anticancer agents.
Balakumar C; Ramesh M; Tham CL; Khathi SP; Kozielski F; Srinivasulu C; Hampannavar GA; Sayyad N; Soliman ME; Karpoormath R
J Biomol Struct Dyn; 2018 Nov; 36(14):3687-3704. PubMed ID: 29064326
[TBL] [Abstract][Full Text] [Related]
3. Comparative docking of dual conformations in human fatty acid synthase thioesterase domain reveals potential binding cavity for virtual screening of ligands.
John A; Vetrivel U; Subramanian K; Deepa PR
J Biomol Struct Dyn; 2017 May; 35(6):1350-1366. PubMed ID: 27145135
[TBL] [Abstract][Full Text] [Related]
4. Targeting the NF-κB/IκBα complex via fragment-based E-Pharmacophore virtual screening and binary QSAR models.
Kanan T; Kanan D; Erol I; Yazdi S; Stein M; Durdagi S
J Mol Graph Model; 2019 Jan; 86():264-277. PubMed ID: 30415122
[TBL] [Abstract][Full Text] [Related]
5. Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations.
Liu YY; Feng XY; Jia WQ; Jing Z; Xu WR; Cheng XC
Comput Biol Chem; 2019 Feb; 78():190-204. PubMed ID: 30557817
[TBL] [Abstract][Full Text] [Related]
6. Virtual Screening of Novel Glucosamine-6-Phosphate Synthase Inhibitors.
Lather A; Sharma S; Khatkar A
Comb Chem High Throughput Screen; 2018; 21(3):182-193. PubMed ID: 29600755
[TBL] [Abstract][Full Text] [Related]
7. Pharmacophore-based virtual screening, molecular docking, molecular dynamics simulation, and biological evaluation for the discovery of novel BRD4 inhibitors.
Yan G; Hou M; Luo J; Pu C; Hou X; Lan S; Li R
Chem Biol Drug Des; 2018 Feb; 91(2):478-490. PubMed ID: 28901664
[TBL] [Abstract][Full Text] [Related]
8. Large scale free energy calculations for blind predictions of protein-ligand binding: the D3R Grand Challenge 2015.
Deng N; Flynn WF; Xia J; Vijayan RS; Zhang B; He P; Mentes A; Gallicchio E; Levy RM
J Comput Aided Mol Des; 2016 Sep; 30(9):743-751. PubMed ID: 27562018
[TBL] [Abstract][Full Text] [Related]
9. Identification of InhA inhibitors: A combination of virtual screening, molecular dynamics simulations and quantum chemical studies.
Lone MY; Manhas A; Athar M; Jha PC
J Biomol Struct Dyn; 2018 Aug; 36(11):2951-2965. PubMed ID: 28849732
[TBL] [Abstract][Full Text] [Related]
10. Molecular docking and dynamic simulation evaluation of Rohinitib - Cantharidin based novel HSF1 inhibitors for cancer therapy.
Agarwal T; Annamalai N; Khursheed A; Maiti TK; Arsad HB; Siddiqui MH
J Mol Graph Model; 2015 Sep; 61():141-9. PubMed ID: 26245696
[TBL] [Abstract][Full Text] [Related]
11. A Molecular Dynamics-Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Receptor α.
Perricone U; Wieder M; Seidel T; Langer T; Padova A; Almerico AM; Tutone M
ChemMedChem; 2017 Aug; 12(16):1399-1407. PubMed ID: 28135036
[TBL] [Abstract][Full Text] [Related]
12. Could the FDA-approved anti-HIV PR inhibitors be promising anticancer agents? An answer from enhanced docking approach and molecular dynamics analyses.
Arodola OA; Soliman ME
Drug Des Devel Ther; 2015; 9():6055-65. PubMed ID: 26622167
[TBL] [Abstract][Full Text] [Related]
13. Structure-based virtual screening, molecular docking, ADMET and molecular simulations to develop benzoxaborole analogs as potential inhibitor against Leishmania donovani trypanothione reductase.
Pandey RK; Kumbhar BV; Sundar S; Kunwar A; Prajapati VK
J Recept Signal Transduct Res; 2017 Feb; 37(1):60-70. PubMed ID: 27147242
[TBL] [Abstract][Full Text] [Related]
14. Exploration of New and Potent Lead Molecules Against CAAX Prenyl Protease I of Leishmania donovani Through Pharmacophore Based Virtual Screening Approach.
Prabhu SV; Tiwari K; Suryanarayanan V; Dubey VK; Singh SK
Comb Chem High Throughput Screen; 2017; 20(3):255-271. PubMed ID: 28116998
[TBL] [Abstract][Full Text] [Related]
15. Identification of Novel Antagonists for Rab38 Protein by Homology Modeling and Virtual Screening.
Abdelmonsef AH; Dulapalli R; Dasari T; Padmarao LS; Mukkera T; Vuruputuri U
Comb Chem High Throughput Screen; 2016; 19(10):875-892. PubMed ID: 27784220
[TBL] [Abstract][Full Text] [Related]
16. Structure-based virtual screening of novel, high-affinity BRD4 inhibitors.
Muvva C; Singam ER; Raman SS; Subramanian V
Mol Biosyst; 2014 Jul; 10(9):2384-97. PubMed ID: 24976024
[TBL] [Abstract][Full Text] [Related]
17. Designing and optimization of novel human LMTK3 inhibitors against breast cancer - a computational approach.
Anbarasu K; Jayanthi S
J Recept Signal Transduct Res; 2017 Feb; 37(1):51-59. PubMed ID: 27056562
[TBL] [Abstract][Full Text] [Related]
18. Computational design of new protein kinase D 1 (PKD1) inhibitors: homology-based active site prediction, energy-optimized pharmacophore, docking and database screening.
Nalini ; Chadha N; Bahia MS; Kaur M; Bahadur R; Silakari O
Mol Divers; 2018 Feb; 22(1):47-56. PubMed ID: 29058231
[TBL] [Abstract][Full Text] [Related]
19. Screening approaches against claudin-4 focusing on therapeutics through molecular docking and the analysis of their relative dynamics: a theoretical approach.
Rambabu M; Jayanthi S
J Recept Signal Transduct Res; 2020 Oct; 40(5):436-441. PubMed ID: 32321343
[TBL] [Abstract][Full Text] [Related]
20. Computational analyses of interactions between ALK-5 and bioactive ligands: insights for the design of potential anticancer agents.
Almeida MO; Costa CHS; Gomes GC; Lameira J; Alves CN; Honorio KM
J Biomol Struct Dyn; 2018 Nov; 36(15):4010-4022. PubMed ID: 29132261
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]